2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane

C19H25FN4O2 — CID 143530604

IUPAC2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane
SMILESCOC.COc1ccc(/C(=C\N)c2ccc(N3CC(F)C3)nc2)c(N)c1
InChIInChI=1S/C17H19FN4O.C2H6O/c1-23-13-3-4-14(16(20)6-13)15(7-19)11-2-5-17(21-8-11)22-9-12(18)10-22;1-3-2/h2-8,12H,9-10,19-20H2,1H3;1-2H3/b15-7-;
InChIKeyYZIHHFBSOBFHND-DFPPEFKWSA-N
MW360.43 g/mol
LogP2.44
Rot. Bonds4

About 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane

2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane (PubChem CID 143530604) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane.

Molecular Properties

Compound Name2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane
PubChem CID143530604
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane
SMILESCOC.COc1ccc(/C(=C\N)c2ccc(N3CC(F)C3)nc2)c(N)c1
InChIInChI=1S/C17H19FN4O.C2H6O/c1-23-13-3-4-14(16(20)6-13)15(7-19)11-2-5-17(21-8-11)22-9-12(18)10-22;1-3-2/h2-8,12H,9-10,19-20H2,1H3;1-2H3/b15-7-;
InChIKeyYZIHHFBSOBFHND-DFPPEFKWSA-N
XLogP2.44
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 143530580
2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane
CID 163274592
6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 97271592
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140190
ethane;6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 170568898
(2-amino-4-methoxyphenyl)-pyrimidin-5-ylmethanone
CID 116602325
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
4-[1-(5-methoxy-2-pyridinyl)azetidin-3-yl]-1,3-thiazol-2-amine
CID 164769374
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472
6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
CID 106669549

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane?
The IUPAC name of 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane (CID 143530604) is 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane.
What is the SMILES notation for 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane?
The canonical SMILES for 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane is COC.COc1ccc(/C(=C\N)c2ccc(N3CC(F)C3)nc2)c(N)c1.
What is the InChIKey of 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane?
The InChIKey is YZIHHFBSOBFHND-DFPPEFKWSA-N. The full InChI is InChI=1S/C17H19FN4O.C2H6O/c1-23-13-3-4-14(16(20)6-13)15(7-19)11-2-5-17(21-8-11)22-9-12(18)10-22;1-3-2/h2-8,12H,9-10,19-20H2,1H3;1-2H3/b15-7-;.
What are the key properties of 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane?
2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane has a molecular weight of 360.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane is sourced from PubChem (CID 143530604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).